9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C24H34 — CID 59637851

IUPAC9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCCC1CCC(CCC2C3C=CC=CC3C3C=CC=CC32)C1
InChIInChI=1S/C24H34/c1-2-3-8-18-13-14-19(17-18)15-16-24-22-11-6-4-9-20(22)21-10-5-7-12-23(21)24/h4-7,9-12,18-24H,2-3,8,13-17H2,1H3
InChIKeyQGVBOAKQADNVPL-UHFFFAOYSA-N
MW322.54 g/mol
LogP6.72
Rot. Bonds6

About 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 59637851) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID59637851
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCCCCC1CCC(CCC2C3C=CC=CC3C3C=CC=CC32)C1
InChIInChI=1S/C24H34/c1-2-3-8-18-13-14-19(17-18)15-16-24-22-11-6-4-9-20(22)21-10-5-7-12-23(21)24/h4-7,9-12,18-24H,2-3,8,13-17H2,1H3
InChIKeyQGVBOAKQADNVPL-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-propyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59075885
1-butyl-3-(2-cyclopentylethyl)-2,3,3a,7a-tetrahydro-1H-indene
CID 162270743
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
6-butyl-3-methylcycloheptane-1,2-diol
CID 123314380
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
1-bromo-3-butylcyclopentane
CID 64508261
1-butyl-3,5-dipropylcyclohexane
CID 145132341
1,3-dipentylcyclohexane
CID 54105663
(2R,7R)-2,7-dibutyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54101502
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 59637851) is 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is CCCCC1CCC(CCC2C3C=CC=CC3C3C=CC=CC32)C1.
What is the InChIKey of 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is QGVBOAKQADNVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-2-3-8-18-13-14-19(17-18)15-16-24-22-11-6-4-9-20(22)21-10-5-7-12-23(21)24/h4-7,9-12,18-24H,2-3,8,13-17H2,1H3.
What are the key properties of 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 322.54 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-butylcyclopentyl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 59637851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).